N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine

C15H21F3N2O — CID 63644044

IUPACN-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine
SMILESCC(c1ccc(OC(F)(F)F)cc1)N(C)C1CCCNC1
InChIInChI=1S/C15H21F3N2O/c1-11(20(2)13-4-3-9-19-10-13)12-5-7-14(8-6-12)21-15(16,17)18/h5-8,11,13,19H,3-4,9-10H2,1-2H3
InChIKeyCJIYHLGRCCXPBR-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.33
Rot. Bonds4

About N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine

N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine (PubChem CID 63644044) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine
PubChem CID63644044
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine
SMILESCC(c1ccc(OC(F)(F)F)cc1)N(C)C1CCCNC1
InChIInChI=1S/C15H21F3N2O/c1-11(20(2)13-4-3-9-19-10-13)12-5-7-14(8-6-12)21-15(16,17)18/h5-8,11,13,19H,3-4,9-10H2,1-2H3
InChIKeyCJIYHLGRCCXPBR-UHFFFAOYSA-N
XLogP3.33
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)ethyl]-N-methylpiperidin-3-amine
CID 63641916
3-[1-[4-(trifluoromethoxy)phenyl]azetidin-3-yl]piperidine
CID 162686588
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
CID 174736613
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
(3R)-N-methyl-N-(1-thiophen-2-ylethyl)piperidin-3-amine
CID 71637502
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
(3R)-N-methyl-N-[1-(1H-pyrrol-2-yl)ethyl]piperidin-3-amine;hydrochloride
CID 71637497
N-[1-(2,4-difluorophenyl)ethyl]-N-methylpiperidin-3-amine
CID 55248346
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
N-methyl-3-piperidin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119717349
N,2-dimethyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]propan-2-amine
CID 59146343

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine?
The IUPAC name of N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine (CID 63644044) is N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine?
The canonical SMILES for N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine is CC(c1ccc(OC(F)(F)F)cc1)N(C)C1CCCNC1.
What is the InChIKey of N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine?
The InChIKey is CJIYHLGRCCXPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(20(2)13-4-3-9-19-10-13)12-5-7-14(8-6-12)21-15(16,17)18/h5-8,11,13,19H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine?
N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine is sourced from PubChem (CID 63644044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).